Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGME-FSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMTGYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSPIARKDSRRRSGMKL
3NNU Chain:A ((5-350))-----RPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVA-DPYDQSFESRDLLIDEWKSLTYDEVISFVPPP------------


General information:
TITO was launched using:
RESULT:

Template: 3NNU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -205470 for 2702 contacts (-76.0/contact) +
2D Compatibility (PS) -36903 + (NN) -19930 + (LL) 1496
1D Compatibility (HY) -42400 + (ID) 10700
Total energy: -313907.0 ( -116.18 by residue)
QMean score : 0.563

(partial model without unconserved sides chains):
PDB file : Tito_3NNU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NNU-query.scw
PDB file : Tito_Scwrl_3NNU.pdb: